2-adamantyl-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone

C17H27NO3 — CID 102934585

IUPAC2-adamantyl-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
SMILESCC1CN(C(=O)C2C3CC4CC(C3)CC2C4)CC(CO)O1
InChIInChI=1S/C17H27NO3/c1-10-7-18(8-15(9-19)21-10)17(20)16-13-3-11-2-12(5-13)6-14(16)4-11/h10-16,19H,2-9H2,1H3
InChIKeyFPBBIPMQUVRJNE-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.67
Rot. Bonds2

About 2-adamantyl-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone

2-adamantyl-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone (PubChem CID 102934585) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-adamantyl-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name2-adamantyl-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
PubChem CID102934585
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name2-adamantyl-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
SMILESCC1CN(C(=O)C2C3CC4CC(C3)CC2C4)CC(CO)O1
InChIInChI=1S/C17H27NO3/c1-10-7-18(8-15(9-19)21-10)17(20)16-13-3-11-2-12(5-13)6-14(16)4-11/h10-16,19H,2-9H2,1H3
InChIKeyFPBBIPMQUVRJNE-UHFFFAOYSA-N
XLogP1.67
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-adamantyl-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-bicyclo[3.1.0]hexanyl-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102934154
2-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]cyclopropane-1-carboxylic acid
CID 102932290
1,4-dioxan-2-yl-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102934254
2,2-difluoro-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone
CID 103514025
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-methylsulfanylethanone
CID 102934667
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]but-2-yn-1-one
CID 107989722
6-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]cyclohex-3-ene-1-carboxylic acid
CID 102932297
2-bicyclo[2.2.1]hept-5-enyl-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102934347
5-hydroxy-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pentan-1-one
CID 102938984
tert-butyl (6S)-2-(hydroxymethyl)-6-methylmorpholine-4-carboxylate
CID 146664765
(1-aminocyclopropyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102932645
2-hydroxyethyl 2-(hydroxymethyl)-6-methylmorpholine-4-carboxylate
CID 102938985

Frequently Asked Questions

What is the IUPAC name of 2-adamantyl-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone?
The IUPAC name of 2-adamantyl-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone (CID 102934585) is 2-adamantyl-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone.
What is the SMILES notation for 2-adamantyl-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone?
The canonical SMILES for 2-adamantyl-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone is CC1CN(C(=O)C2C3CC4CC(C3)CC2C4)CC(CO)O1.
What is the InChIKey of 2-adamantyl-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone?
The InChIKey is FPBBIPMQUVRJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-10-7-18(8-15(9-19)21-10)17(20)16-13-3-11-2-12(5-13)6-14(16)4-11/h10-16,19H,2-9H2,1H3.
What are the key properties of 2-adamantyl-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone?
2-adamantyl-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone has a molecular weight of 293.41 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-adamantyl-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone is sourced from PubChem (CID 102934585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).